(1S,4R,11R,14S,17S,20R)-4-[(2S)-2-Butanyl]-14-[(1R)-1-Hydroxyethyl]-17-Isopropyl-11,20-Dimethyl-19-Oxa-6-Thia-3,10,13,16,21,22-Hexaazatricyclo[16.2.1.1~5,8~]Docosa-5(22),7,18(21)-Triene-2,9,12,15-Tetrone

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Formula C25H38N6O6S
IUPAC Name (11r,17s,20r)-4-[(2s)-2-butanyl]-14-[(1r)-1-hydroxyethyl]-17-isopropyl-11,20-dimethyl-19-oxa-6-thia-3,10,13,16,21,22-hexaazatricyclo[16.2.1.1 5,8 ]docosa-5(22),7,18(21)-triene-2,9,12,15-tetrone
Molecular Mass 550.671 g·mol−1
Heat of Formation -1027.8 ± 16.7 kJ·mol−1
Dipole Moment 6.83 ± 1.08 D
Volume 672.75 Å 3
Surface Area 493.45 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
InChIKey XRULOHJFZLNAKT-XBDVBVOPSA-N
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